Found 9 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50472911' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Binding affinity towards Tachykinin receptor 2 |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 291 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Phe270Ala mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Phe mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Wild-type tachykinin receptor 2 |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Tyr266Phe mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Ala mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Wild-type tachykinin receptor 2 |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr266Phe mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472911
(CHEMBL407782 | MEN-11420)Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Compound was evaluated for Kd value against [125I]-NKA on the Tyr206Phe mutated human NK-2 receptor |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
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